Remove Big balls from *cube files?

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simba2828
Posts: 43
Joined: Tue Mar 07, 2023 4:19 pm
Affiliation: IIT Kharagpur

Remove Big balls from *cube files?

Post by simba2828 »

Dear EPW experts,
Could anyone please suggest how to remove these big balls in cube files?

Thanks in advance.
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gkafle1
Posts: 31
Joined: Wed Jun 17, 2020 8:55 pm
Affiliation: Binghamton University

Re: Remove Big balls from *cube files?

Post by gkafle1 »

Hi simba2828,

To remove the big balls, you can follow the following steps in VESTA:
1) go to the "Edit -> Edit Data -> phase" on the top left corner
2) you can see the list of phases labelled as "Cubfile created from EPW calculation"
3) select the last one and "Delete" that and then "Apply"

Now you will get rid of that ball.

One thing to mention, in the EPW calculations, if you set "iverbosity = 2", you can also find "frmsf" files readable using Fermisurfer software. In that case, you don't need to worry about the big balls :lol:.

Thanks!

Best
Gyanu

simba2828
Posts: 43
Joined: Tue Mar 07, 2023 4:19 pm
Affiliation: IIT Kharagpur

Re: Remove Big balls from *cube files?

Post by simba2828 »

Dear Gkafle,

Thank you for your quick response and a nice suggestion. Though I recently installed Fermisurfer and I could visualize the Fermi surface file.

Shubham

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